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| | 3,5-Dinitrobenzoic acid Basic information |
| Product Name: | 3,5-Dinitrobenzoic acid | | Synonyms: | DNBA)3,5-Dinitrobenz;Dinitrobenzoic acid;3,5-DINITROBENZOIC ACID*PHOTOGRAPHIC GRA DE;3-5-DINITROBENZOIC ACID CRYSTALLINE;3,5-DINITROBENZOIC ACID OEKANAL, 250 MG;3,5-DinitrobenzoicAcidGr;3,5-DNBAfreeofsulfur;Benzoic acid, 3,5-dinitro- | | CAS: | 99-34-3 | | MF: | C7H4N2O6 | | MW: | 212.12 | | EINECS: | 202-751-1 | | Product Categories: | C7;Carbonyl Compounds;Carboxylic Acids;Organic acids;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;carboxylic acid| nitro-compound;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Quinoxalines ,Quinazolines;99-34-3 | | Mol File: | 99-34-3.mol |  |
| | 3,5-Dinitrobenzoic acid Chemical Properties |
| Melting point | 204-206 °C (lit.) | | Boiling point | 351.93°C (rough estimate) | | density | 1.683 | | refractive index | 1.5300 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | ethanol: soluble0.5g/10 mL, clear, yellow to very deep greenish-yellow | | form | Solid | | pka | pK1:2.85 (25°C) | | color | Yellow crystalline | | PH Range | 2.7 | | Water Solubility | 1350 mg/L (25 ºC) | | Merck | 14,3276 | | BRN | 1914286 | | Stability: | Stable. Contact with strong bases may lead to fire. Incompatible with strong bases, strong oxidizing agents. | | LogP | 1.51 at 20℃ | | CAS DataBase Reference | 99-34-3(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 3,5-dinitro-(99-34-3) | | EPA Substance Registry System | 3,5-Dinitrobenzoic acid (99-34-3) |
| Hazard Codes | Xn,F | | Risk Statements | 22-36/37/38-68-11 | | Safety Statements | 26-36/37/39-16 | | RIDADR | UN1325 | | WGK Germany | 3 | | RTECS | DG9140700 | | TSCA | Yes | | HazardClass | 4.1 | | PackingGroup | III | | HS Code | 29163900 |
| | 3,5-Dinitrobenzoic acid Usage And Synthesis |
| Chemical Properties | White to pale yellow monoclinic prismatic crystal. Soluble in alcohol and glacial acetic acid, slightly soluble in water, ether and carbon disulfide. Can be volatile with water vapor. | | Uses | 3,5-nitrobenzoic acid is an important intermediate for organic synthesis, in the pharmaceutical industry for the synthesis sulfachrysoidine and for the detection of ampicillin. | | Uses | 3,5-Dinitrobenzoic acid, is used as a reagent used in the derivatization of resins and the determination of ampicillin. | | Preparation | 3,5-Dinitrobenzoic acid is synthesized by nitration of benzoic acid. Sulfuric acid was added to the dry reaction pot, and benzoic acid was added under stirring. Heat to 60°C, add fuming nitric acid dropwise, and complete the dropwise addition below 85°C. React at 80-85°C for 1 h, 100°C for 0.5-1h, and then heat up to 135°C for 2h. Leave overnight. The reaction solution was put into ice water to separate out crystals, filtered, washed with water and then washed with 50% ethanol to obtain 3,5-dinitrobenzoic acid. Yield 70%. | | Definition | ChEBI: 3,5-dinitrobenzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups. It is a C-nitro compound and a member of benzoic acids. | | Application | 3,5-Dinitrobenzoic Acid is used in fluorometric analysis of creatinine (which is a determinant of kidney function). Also used as a reagent in the synthesis of several organic compounds including that of rhodanine derivatives that act as aldose reductase inhibitors. | | General Description | 3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms. | | Purification Methods | Crystallise the acid from distilled H2O or 50% EtOH (4mL/g). Dry it in a vacuum desiccator or at 70o over BaO under a vacuum for 6hours. [Beilstein 9 II 279, 9 III 1779, 9 IV 1242.] |
| | 3,5-Dinitrobenzoic acid Preparation Products And Raw materials |
| Raw materials | Nitric acid-->Benzamide, N-butyl-4-methoxy--->Phenol, 4-nitro-, ion(1-) (9CI)-->Benzoic acid, 3,5-dinitro-, 4-nitrophenyl ester-->Benzene, 1,3,5-trimethyl-2-[(4-methylphenyl)methyl]--->Benzonitrile, 2-chloro-4,6-dinitro--->Benzamide,N-butyl-3,5-dinitro--->ETHYL 3,5-DINITROBENZOATE-->1,3-DINITRONAPHTHALENE-->Methyl 3,5-dinitrobenzoate-->3,5-dinitrotoluene-->Butylamine-->3-Nitrobenzoic acid-->p-Anisic acid | | Preparation Products | 3-BROMO-5-IODOBENZOIC ACID-->3-Bromo-5-nitrobenzoic acid-->3-AMINO-5-BROMO-BENZOIC ACID-->3,5-Dinitrobenzoyl chloride-->3-Amino-5-nitrobenzoic acid-->Diatrizoic Acid Dihydrate-->Disperse Brown 30 |
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